dimethyl-bis(trifluoromethyl)azanium

C4H6F6N+ — CID 22460902

IUPACdimethyl-bis(trifluoromethyl)azanium
SMILESC[N+](C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6N/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3/q+1
InChIKeyCIFXQSIKRUFIFE-UHFFFAOYSA-N
MW182.09 g/mol
LogP2.10
Rot. Bonds

About dimethyl-bis(trifluoromethyl)azanium

dimethyl-bis(trifluoromethyl)azanium (PubChem CID 22460902) has the molecular formula C4H6F6N+ and a molecular weight of 182.09 g/mol. Its IUPAC name is dimethyl-bis(trifluoromethyl)azanium.

Molecular Properties

Compound Namedimethyl-bis(trifluoromethyl)azanium
PubChem CID22460902
Molecular FormulaC4H6F6N+
Molecular Weight182.09 g/mol
Exact Mass182.04
IUPAC Namedimethyl-bis(trifluoromethyl)azanium
SMILESC[N+](C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6N/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3/q+1
InChIKeyCIFXQSIKRUFIFE-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluorotrimethylamine
CID 136481
Difluoromethyldimethylamine
CID 2758304
Bis(trifluoromethyl)methylamine
CID 12804489
Trimethyl(trifluoromethyl)azanium
CID 12654533
Difluoromethyl(trimethyl)azanium
CID 13440986
Fluoroform;tetramethylazanium
CID 22401043
1,1,2,2,2-pentafluoro-N,N-dimethylethanamine
CID 23154530
CID 45087477
CID 45087477
Tetrakis(difluoromethyl)azanium
CID 57031705
N-(difluoromethyl)-1,1-difluoro-N-(fluoromethyl)methanamine
CID 85733874
Methyl-tris(trifluoromethyl)azanium;chloride
CID 87100011
Methyl-tris(trifluoromethyl)azanium
CID 87100012

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(trifluoromethyl)azanium?
The IUPAC name of dimethyl-bis(trifluoromethyl)azanium (CID 22460902) is dimethyl-bis(trifluoromethyl)azanium.
What is the SMILES notation for dimethyl-bis(trifluoromethyl)azanium?
The canonical SMILES for dimethyl-bis(trifluoromethyl)azanium is C[N+](C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dimethyl-bis(trifluoromethyl)azanium?
The InChIKey is CIFXQSIKRUFIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F6N/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3/q+1.
What are the key properties of dimethyl-bis(trifluoromethyl)azanium?
dimethyl-bis(trifluoromethyl)azanium has a molecular weight of 182.09 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(trifluoromethyl)azanium is sourced from PubChem (CID 22460902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).